# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0OS' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C 5.51700 3.01900 -1.44800 1.000 C1 C 4.32800 2.31400 -1.35700 1.000 C2 C 5.93800 3.80800 -0.38200 1.000 C3 C 5.16300 3.88900 0.76400 1.000 C4 C 3.97500 3.18700 0.84700 1.000 C5 C 3.56200 2.39400 -0.20900 1.000 C6 C 2.27000 1.62600 -0.11200 1.000 C7 C 2.54300 0.24000 0.47500 1.000 C8 C 1.22000 -0.50900 0.65000 1.000 C9 C 1.49700 -1.91400 1.12000 1.000 C10 C 1.57900 -2.94500 0.20400 1.000 C11 C 1.67500 -2.16900 2.46700 1.000 C12 C 1.92900 -3.45700 2.90200 1.000 C13 C 2.00600 -4.49200 1.99000 1.000 C14 C 1.83400 -4.23800 0.63700 1.000 O15 O 0.40200 0.17800 1.63400 1.000 C16 C -0.92800 0.03400 1.52700 1.000 O17 O -1.39600 -0.60400 0.61400 1.000 C18 C -1.83900 0.66900 2.54700 1.000 C19 C -2.80900 -0.38300 3.09300 1.000 C20 C -3.82000 0.29500 4.02200 1.000 C21 C -4.62400 1.33200 3.23400 1.000 C22 C -3.67300 2.40300 2.68900 1.000 N23 N -2.61400 1.74400 1.91300 1.000 S24 S -2.29900 2.20500 0.35400 1.000 O25 O -2.58400 3.59500 0.28100 1.000 O26 O -1.03300 1.65200 0.02000 1.000 C27 C -3.48100 1.40000 -0.67600 1.000 C28 C -4.68700 2.01600 -0.95500 1.000 C29 C -5.61500 1.38400 -1.76300 1.000 Cl30 Cl -7.13000 2.15700 -2.11300 1.000 C31 C -5.33700 0.13700 -2.29300 1.000 C32 C -4.12900 -0.47800 -2.01400 1.000 Cl33 Cl -3.77800 -2.04300 -2.67900 1.000 C34 C -3.19900 0.15700 -1.21000 1.000 H35 H 3.99900 1.70100 -2.18300 1.000 H36 H 3.37200 3.25000 1.74000 1.000 H37 H 1.57500 2.16400 0.53500 1.000 H38 H 1.83400 1.52100 -1.10500 1.000 H39 H 3.19000 -0.31900 -0.20100 1.000 H40 H 3.03300 0.34500 1.44300 1.000 H41 H 0.69200 -0.54200 -0.30200 1.000 H42 H 1.44400 -2.74400 -0.84900 1.000 H43 H 1.61500 -1.36100 3.18200 1.000 H44 H 2.06800 -3.65400 3.95500 1.000 H45 H 2.20500 -5.49800 2.33000 1.000 H46 H -1.24400 1.07700 3.36400 1.000 H47 H -3.33700 -0.85600 2.26500 1.000 H48 H -2.25300 -1.13700 3.65000 1.000 H49 H -4.49600 -0.45400 4.43200 1.000 H50 H -3.28900 0.79000 4.83600 1.000 H51 H -5.13400 0.84200 2.40500 1.000 H52 H -5.35900 1.79700 3.89000 1.000 H53 H -4.22500 3.08800 2.04500 1.000 H54 H -3.23200 2.95600 3.51800 1.000 H55 H -4.90400 2.98900 -0.54100 1.000 H56 H -6.06100 -0.35600 -2.92400 1.000 H57 H -2.25700 -0.32300 -0.99200 1.000 O58 O 1.90900 -5.25400 -0.26200 1.000 C59 C 2.16800 -6.56100 0.25700 1.000 H60 H 3.12500 -6.56100 0.78000 1.000 H61 H 1.37500 -6.84000 0.95000 1.000 C62 C 2.21700 -7.55100 -0.87800 1.000 O63 O 2.44800 -8.84900 -0.62700 1.000 H64 H 2.47000 -9.44600 -1.38700 1.000 O65 O 2.04600 -7.17600 -2.01400 1.000 O66 O 7.10700 4.49800 -0.46400 1.000 C67 C 7.47500 5.28700 0.66900 1.000 H68 H 6.70600 6.03600 0.85600 1.000 H69 H 7.57600 4.64400 1.54300 1.000 H70 H 8.42600 5.78400 0.47200 1.000 O71 O 6.27400 2.93600 -2.57500 1.000 C72 C 5.78000 2.10800 -3.62900 1.000 H73 H 5.48700 4.50000 1.59400 1.000 H74 H 5.67800 1.08400 -3.26800 1.000 H75 H 4.80800 2.47600 -3.95500 1.000 H76 H 6.47800 2.13000 -4.46600 1.000